Geometry & MOs

Info

ID:	416422
PubChem CID:	135089435
Reduced:	NCl2O3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	295.158372
ΔH_f, kcal/mol:	-131.88
Dipole, Da:	2.57
IP(EA), eV:	-9.44(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-N-[(2-fluorophenyl)methyl]-4-hydroxy-3-methoxy-N-methylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)C(=O)COC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations